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Prediction model on hydrolysis kinetics of phthalate monoester:A density functional theory study

Journal of environmental sciences 2024年第1期135卷 51-58页

作者： Tong Xu Jingwen Chen Deming Xia Weihao Tang Jiansheng Cui Chun Liu Shuangjiang Li College of environmental science and Engineering Hebei University of Science and TechnologyShijiazhuang 050000China Key Laboratory of Industrial Ecology and environmental Engineering(Ministry of Education) School of Environmental Science and TechnologyDalian University of TechnologyDalian 116024China National-Regional Joint Engineering Research Center for Soil Pollution Control and Remediation in South China Guangdong Key Laboratory of Integrated Agro-environmental Pollution Control and ManagementInstitute of Eco-environmental and Soil SciencesGuangdong Academy of SciencesGuangzhou 510650China

As primary degradation products of phthalate esters,phthalate monoesters(MPEs)have been widely detected in various aquatic environments and drawn growing toxicological *** kinetics that is of importance for assessing environmental persistence of chemicals remain elusive for ***,kinetics of base-catalyzed and neutral hydrolysis for 18 MPEs with different leaving groups was investigated by density functional theory *** indicate that MPEs with leaving groups having p Kaof<10 prefer dissociative transition *** are more persistent than their parents,and their hydrolysis half-lives were calculated to vary from 3.4 min to 79.2 years(p H=7–9).A quantitative structure-activity relationship model was developed for predicting the hydrolysis kinetics *** was found that p Kaof the leaving groups and electronegativity of the MPEs are key factors determining the hydrolysis *** work may lay a theoretical foundation for better understanding the chemical process that governs MPE persistence in aquatic environments.

关键词： Phthalate monoesters Phthalate esters Hydrolysis Density functional theory Quantitative structure-activity relationship

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Core-shell design of UiO66-Fe_(3)O_(4) configured with EDTA-assisted washing for rapid adsorption and simple recovery of heavy metal pollutants from soil

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Journal of environmental sciences 2024年第5期139卷 556-568页

作者： Xi Wang Asif Hussain Qingqing Li Mingyu Ma Juan Wu Mingqiang Deng Jie Yang Dengxin Li Department of environmental science and Engineering Donghua UniversityShanghai 201620China Department of environmental science Federal Urdu University of ArtsScience and Technology75300 KarachiPakistan Shanghai Academy of environmental sciences Shanghai 200233China

The coupling of washing with adsorption process can be adopted for the treatment of soils contaminated with heavy metals ***,the complex environment of soil and the competitive behavior of leaching chemicals considerably restrain adsorption capacity of adsorbent material during washing process,which demands a higher resistance of the adsorbents to *** this study,we synthesized strongly magnetic,high specific surface area(573.49 m^(2)/g)UiO66 composites(i.e.,UiO66-Fe_(3)O_(4))using hydrothermal *** UiO66-Fe_(3)O_(4) was applied as an adsorbent during the ethylene diamine tetraacetic acid(EDTA)-assisted washing process of contaminated *** incorporation of UiO66-Fe_(3)O_(4)results in rapid heavy metal removal and recovery from the soil under low concentrations of washing agent(0.001 mol/L)with reduced residual heavy metal mobility of soil after ***,UiO66-Fe_(3)O_(4)can quickly recollect by an external magnet,which offers a simple and inexpensive recovery method for heavy metals from contaminated ***,UiO66-Fe_(3)O_(4)configuration with EDTA-assisted washing process showed opportunities for heavy metals contaminated sites.

关键词： UiO66 composites Metal-EDTA complexes EDTA-assisted washing Heavy metals recovery Soil

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Legacy and emerging per-and polyfluoroalkyl substances(PFAS) in the atmosphere: A comprehensive review

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science China Technological sciences 2024年第10期67卷 3032-3050页

作者： QIAO BiTing SONG DongBao CHEN Hao YAO YiMing SUN HongWen MOE Key Laboratory of Pollution Processes and environmental Criteria College of Environmental Science and EngineeringNankai University

With long-term production and widespread application, per-and polyfluoroalkyl substances(PFAS) have been detected in various media worldwide, including the atmosphere. Since the gradual restriction and phase-out of C8perfluoroalkyl acids(PFAAs), environmental contamination by emerging PFAS substitutes such as short-chain PFAA homologues, perfluoroether carboxylic, and sulfonic acids has been reported. Although there has been extensive monitoring of emerging PFAS substitutes in the aquatic environment, few studies have conducted target analysis and nontarget screening(NTS) of emerging unknown PFAS in the atmosphere over the past decade. To fill the gap, this review focused on emerging PFAS in the atmosphere in addition to legacy PFAS. The reported sampling, pretreatment, and instrumental analysis methods for target analysis and NTS of both neutral and ionic PFAS in the atmosphere are summarized, along with the advantages and current limitations of different sampling and NTS methods for PFAS in the atmosphere. The global levels, composition, and spatiotemporal distribution characteristics of legacy and emerging PFAS in the atmosphere are summarized and their transport, transformation, and dry/wet deposition are elucidated. The review highlights the importance of developing and applying the all-in-one strategy integrating target, suspect screening, and NTS to gain insights into emerging PFAS in the atmosphere and provide a reference for future research.

关键词： emerging PFAS atmosphere nontarget screening spatiotemporal distribution fate

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Lake microbiome composition determines community adaptability to warming perturbations

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Ecological Processes 2024年第2期13卷 177-191页

作者： Xiaotong Wu Qixing Zhou Hui Zeng Xiangang Hu Key Laboratory of Pollution Processes and environmental Criteria (Ministry of Education) Carbon Neutrality Interdisciplinary Science Centre/College of Environmental Science and Engineering Nankai University

Background Microbial communities are crucial for ecosystems. A central goal of microbial ecological research is to simplify the biodiversity in natural environments and quantify the functional roles to explore how the ecosystems respond under different environmental conditions. However, the research on the stability and dynamics of lake microbes in response to repeated warming stress is *** To exclude confounding environmental factors, we conducted a 20-day repeated warming simulation experiment to examine the composition and function dynamics of lake microbial *** Experimental warming significantly altered the community structure of bacteria instead of fungi. Microbial community structure, together with microbial biomass, jointly regulated the function of microbial communities. The plummeting of aerobic denitrifiers Pseudomonadaceae decreased by 99%(P < 0.001) after high temperature, leading to reduced microbial nitrogen metabolism on nitrogen respiration and nitrate respiration. Under warming conditions, the microbial community with higher adaptability showed more positive correlations and less competitive relationships in co-occurrence networks to acclimate to *** Microbiome composition controlled carbon and nitrogen metabolism, thus determining lake microbial communities' adaptability to heat stress. This study extended our insights on the lake microbial community response and adaptability under warming drivers.

关键词： Temperature environmental stress Bacteria Fungi Freshwater ecosystem

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Advanced Algorithm for Parameters Estimation of Negative Binomial Distribution with High Dimensional Sparse Group Structure

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Journal of Systems science & Complexity 2024年第5期37卷 2173-2195页

作者： LI Meiqi JIN Baisuo School of management University of Science and Technology of China

Negative binomial regression is a powerful technique for modeling count data, particularly when dealing with overdispersion. However, estimating the parameters for large-dimensional sparse models is challenging due to the complexity of optimizing the mean and dispersion parameter of the negative binomial distribution. To address this issue, the authors propose a novel approach that employs two iterations of the majorize-minimize(MM) algorithm, one for estimating the dispersion parameter and the other for estimating the mean parameters. These approaches improve the convergence speed and stability of the algorithm. The authors also use group penalty for variable selection, which enhances the accuracy and efficiency of the algorithm. The proposed method provides an explicit solution,simplifies the iteration process, and maintains good stability while ensuring algorithm ***, the authors apply the proposed algorithm to the zero-inflated model and demonstrate its promising predictive performance on specific data sets. The research has important implications for count data modeling and analysis in various fields, such as data mining, machine learning, and bioinformatics.

关键词： Group structure majorize-minimize (MM) negative binomial

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Methionine sources and genotype affect embryonic intestinal development, antioxidants, tight junctions, and growth-related gene expression in chickens

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Animal Nutrition 2024年第1期16卷 218-230页

作者： James K.Lugata Sawadi F.Ndunguru Gebrehaweria K.Reda Xénia E.Ozsváth Eszter Angyal Levente Czeglédi Gabriella Gulyás Renáta Knop János Oláh Zoltán Mészár Rita Varga Brigitta Csernus Csaba Szabó Department of Animal Nutrition and Physiology Faculty of Agriculture and Food Sciences and Environmental Management University of Debrecen Faculty of Agriculture and Food sciences and environmental management Doctoral School of Animal Science University of Debrecen Department of Animal Husbandry Faculty of Agriculture and Food Sciences and Environmental Management University of Debrecen Department of Evolutionary Zoology and Human Biology Faculty of Science and Technology University of Debrecen Institutes for Agricultural Research and Educational Farm University of Debrecen Department of Anatomy Histology and Embryology Faculty of Medicine University of Debrecen

Methionine(Met) is an essential and first limiting amino acid in the poultry diet that plays a significant role in chicken embryonic development and growth. The present study examined the effect of in ovo injection of DL-Met and L-Met sources and genotypes on chicken embryonic-intestinal development and health. Fertilized eggs of the two genotypes, TETRA-SL layer hybrid(TSL)—commercial layer hybrid and Hungarian Partridge colored hen breed(HPC)—a native genotype, were randomly distributed into four treatments for each genotype. The treatment groups include the following: 1) control non-injected eggs(NoIn); 2) saline-injected(SaIn); 3) DL-Met injected(DLM); and 4) L-Met injected(LM). The in ovo injection was carried out on 17.5 d of embryonic development; after hatching, eight chicks per group were sacrificed, and the jejunum was extracted for analysis. The results showed that both DLM and LM groups had enhanced intestinal development as evidenced by increased villus width, villus height, and villus area(P < 0.05) compared to the control. The DLM group had significantly reduced crypt depth, glutathione(GSH) content, glutathione S-transferase 3 alpha(GST3), occludin(OCLN) gene expression and increased villus height to crypt depth ratio in the TSL genotype than the LM group(P < 0.05). The HPC genotype has overexpressed insulin-like growth factor 1(IGF1) gene, tricellulin(MD2), occludin(OCLN),superoxide dismutase 1(SOD1), and GST3 genes than the TSL genotype(P < 0.05). In conclusion, these findings showed that in ovo injection of Met enhanced intestinal development, and function, with genotypes responding differently under normal conditions. Genotypes also influenced the expression of intestinal antioxidants, tight junction, and growth-related genes.

关键词： DL-Methionine L-Methionine In ovo injection Intestinal development Poultry

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Enhanced termination of zinc and cadmium ions from wastewater employing plain and chitosan-modified mxenes: synthesis, characterization,and adsorption performance

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Green Chemical Engineering 2024年第3期5卷 339-347页

作者： Njood R.Azeez Suhaib S.Salih Mohammed Kadhom Harith N.Mohammed Tushar K.Ghosh Department of Chemical Engineering College of Engineering University of Tikrit Department of environmental science College of Energy and Environmental Science Al-Karkh University of Science Department of Nuclear science & Engineering Institute University of Missouri-Columbia

Zinc and cadmium pollutants cause a significant environmental effect that cannot be ignored. Due to their considerable amount in an aqueous environment, industries are seeking suitable adsorbents that are environmentally friendly and inexpensive for removing metals from wastewater before disposing of them in surface waters. This research employed original MXene(MX) and chitosan-modified MXene(CSMX) to extract zinc(Zn(Ⅱ)) and cadmium(Cd(Ⅱ)) metal ions from water-based solutions. The composite material produced was analyzed using techniques such as X-ray Diffraction(XRD), Scanning Electron Microscopy(SEM), Fourier Transform Infrared Spectroscopy(FTIR), and Brunauer-Emmett-Teller(BET). The effects of contact duration, p H of the solution, and initial concentration of metal ions on the adsorption process of Zn(Ⅱ) and Cd(Ⅱ) onto both MX and CSMX composites were investigated. MX and prepared CSMX composite presented a high adsorption capacity for both studied heavy metals, which were 91.55 and 73.82 mg/g for Zn(Ⅱ) and Cd(Ⅱ) onto MX, 106.84 and 93.07 mg/g for Cd(Ⅱ) and Zn(Ⅱ) onto CSMX composite, respectively. Furthermore, the maximum competitive adsorption capacities for Zn(Ⅱ) onto MX and CSMX composites are 77.29 and 93.47 mg/g, and for are Cd(Ⅱ)60.30 and 79.66 mg/g, respectively. Hence, the removal capacities for both single and competitive metal ions were superior to CSMX composite. However, the adsorption capacities after five successive regeneration sequences were only dropped by 13.2% for Zn(Ⅱ) and 17.4% for Cd(Ⅱ) onto the CSMX composite compared to the first cycle. These results confirm that both metals could be efficiently terminated from wastewater, which makes the prepared CSMX composite a favorable candidate adsorbent in practical applications.

关键词： Adsorption Chitosan MXene Zn(II) Cd(II) Wastewater

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Degradation of iopamidol in the permanganate/sulfite process:Evolution of iodine species and effect on the subsequent formation of disinfection by-products

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Journal of environmental sciences 2024年第1期135卷 345-352页

作者： Yimin Lin Hongyu Dong Yating Zhu Gongming Zhou Junlian Qiao Xiaohong Guan State Key Laboratory of Pollution Control and Resources Reuse College of Environmental Science and EngineeringTongji UniversityShanghai 200092China Department of environmental science School of Ecological and Environmental SciencesEast China Normal UniversityShanghai 200241China

Permanganate/sulfite(Mn(VII)/S(IV))process is a promising pre-oxidation technology for sequestering the emerging organic contaminants in drinking water treatment ***(IPM),a representative of iodinated X-ray contrast media,has been widely detected in water sources and has the risk of forming iodinated disinfection byproducts(I-DBPs)in water treatment *** this study,we investigated the evolution of iodine species during the IPM degradation by the Mn(VII)/S(IV)process and its effect on the subsequent formation of I-DBPs during chlorination at pH 7.0 and *** could be effectively degraded in the Mn(VII)/S(IV)process at environmentally relevant pH(pH 7.0 and 8.0).The results of quenching and competitive oxidation kinetic experiments revealed that SO^(·-)_(4)was the major reactive oxidizing species contributing to the degradation of IPM whereas the contributions of HO·and reactive manganese species were negligible in the Mn(VII)/S(IV)process.I–and IO–3were generated while no HOI was detected during the degradation of IPM in the Mn(VII)/S(IV)*** effects of IPM oxidation by Mn(VII)/S(IV)on the subsequent formation of chlorinated disinfection by-products(Cl-DBPs)during chlorination were related to the category of *** pre-oxidation of IPM by Mn(VII)/S(IV)resulted in the generation of I-DBPs during the disinfection process although no I-DBPs were detected if no pre-oxidation was *** finding of this study suggested that attention should be paid to the toxicity of DBPs when water containing iodinated organic contaminants is treated by Mn(VII)/S(IV)process or other pre-oxidation technologies.

关键词： Permanganate/sulfite Iopamidol Sulfate radical Iodinated disinfection byproducts Pre-oxidation

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Abiotic transformation of chlorinated organics at the active surface of iron-bearing minerals in soils and sediments

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science China Technological sciences 2024年第10期67卷 2991-3008页

作者： LI XuXin YAN Chen ZENG YuXi LI WenBin PENG TianWei SONG Biao ZHOU ChengYun College of environmental science and Engineering Hunan University Key Laboratory of environmental Biology and Pollution Control (Hunan University) Ministry of Education

Chlorinated organic compounds are emerging pollutants of widespread concern because of their toxicity, bioaccumulation,persistence, and lack of adequate regulatory measures. Their abiotic transformation, facilitated by iron-bearing minerals, is critical to their natural dissipation in soils and sediments. However, further exploration is needed to understand their underlying mechanisms and potential engineering applications under different redox conditions. This paper reviews the abiotic transformation behaviors and mechanisms of chlorinated organics at the active surface of iron-bearing minerals under anoxic and oxic conditions and summarizes the strategies for enhancing the abiotic transformation efficiency of chlorinated organics. The abiotic transformation rate under oxic conditions can be a few orders of magnitude higher than that under anoxic conditions. Under anoxic conditions, chlorinated organics undergo reductive dechlorination through reductive elimination, hydrogenolysis, dehydrohalogenation, and nucleophilic substitution. A close relationship between the abiotic transformation of chlorinated organics and the production of hydroxyl radicals by iron-bearing minerals under oxic conditions was discovered. Synthetic active iron-bearing minerals, carbonaceous materials, and biological synergy can facilitate abiotic dechlorination under anoxic conditions. Meanwhile, the regulation of redox conditions, the introduction of ligands, and the utilization of coexisting anions are proposed to enhance oxidative degradation. This study is expected to improve the comprehension of the abiotic degradation of chlorinated organics mediated by iron-bearing minerals and provide the theoretical foundation for developing new approaches aimed at addressing chlorinated organic pollution.

关键词： chlorinated organic compounds iron-bearing minerals dechlorination degradation remediation

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COF-based membranes for liquid phase separation:Preparation,mechanism and perspective

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Journal of environmental sciences 2024年第7期141卷 63-89页

作者： Yujie Zhao He Gu Yilun Zhou CaimeiWen Xiaolu Liu Suhua Wang Zhongshan Chen Hui Yang Xiangke Wang College of environmental science and Engineering North China Electric Power UniversityBeijing 102206China School of environmental science and Engineering Guangdong University of Petrochemical TechnologyMaoming 525000China

Covalent organic frameworks(COFs)are a new kind of crystalline porous materials composed of organic molecules connected by covalent bonds,processes the characteristics of low density,large specific surface area,adjustable pore size and structure,and easy to functionalize,which have been widely used in the field of membrane separation ***,there are more and more researches focusing on the preparation methods,separation application,and mechanism of COF membranes,which need to be further summarized and *** this review,we primarily summarized several conventional preparation methods,such as two-phase interfacial polymerization,in-situ growth on substrate,unidirectional diffusion method,layer-by-layer assembly method,mixed matrix membranes,and so *** advantages and disadvantages of each method are briefly *** application potential of COF membrane in liquid separation are introduced from four aspects:dyeing wastewater treatment,heavy metal removal,seawater desalination and oil-water ***,the mechanisms including pore structure,hydrophilic/hydrophobic,electrostatic repulsion/attraction and Donnan effect are *** the efficient removal of different kind of pollutions,researchers can select different ligands to construct membranes with specific pore size,hydrophily,salt or organic rejection ability and functional *** ideas for the design and preparation of COF membranes are ***,the future direction and challenges of the next generation of COF membranes in the field of separation are prospected.

关键词： Covalent organic frameworks Membrane materials Liquid phase separation Separation mechanism

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